3-bromo-4,6-dihydroxy-2-(4-hydroxyphenyl)-1H-inden-1-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 3-bromo-4,6-dihydroxy-2-(4-hydroxyphenyl)-1H-inden-1-one
• 英文别名: 3-Bromo-4,6-dihydroxy-2-(4-hydroxy-phenyl)-inden-1-one；3-bromo-4,6-dihydroxy-2-(4-hydroxyphenyl)inden-1-one
• 化学式: C₁₅H₉BrO₄
• 分子量: 333.138
• InChiKey: ARAVJEDSAIPJMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对甲氧基苯乙腈 在 四溴化碳 、 硫酸 、 三溴化硼 、 三苯基膦 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 、 氯仿 为溶剂， 生成 3-bromo-4,6-dihydroxy-2-(4-hydroxyphenyl)-1H-inden-1-one
  参考文献：
  名称：

  Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones

  摘要：

  The syntheses of a series of 2-arylindene-1-ones as potent ligands of ERbeta and ERalpha are described. Several compounds exhibited high potency and moderate selectivity for the ERbeta receptor. X-ray and modeling studies were used to understand ligand binding orientation and observed affinity.

  DOI：

  10.1016/j.bmcl.2005.04.013

文献信息

• PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION
  申请人：CHANG Chien-Neng

  公开号：US20090010884A1

  公开（公告）日：2009-01-08

  The present invention provides compositions and methods for preventing, treating, or inhibiting inflammatory diseases, disorders, or conditions of the skin, and diseases, disorders, or conditions associated with collagen depletion using one or more estrogenic agents.

  本发明提供了使用一个或多个雌激素类药物预防、治疗或抑制皮肤炎症性疾病、紊乱或状况以及与胶原蛋白流失相关的疾病、紊乱或状况的组合物和方法。
• Substituted indenones as estrogenic agents
  申请人：Wyeth

  公开号：US20030166643A1

  公开（公告）日：2003-09-04

  This invention provides estrogen receptor modulators of formula I, having the structure 1 R 1 , R 2 , and R 3 are as defined in the specification, or a pharmaceutically acceptable salt thereof.

  本发明提供了式I的雌激素受体调节剂，其结构为1R1，R2和R3如规范中所定义，或其药学上可接受的盐。
• US6903238B2
  申请人：——

  公开号：US6903238B2

  公开（公告）日：2005-06-07
• [EN] PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION<br/>[FR] COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS POUR PRÉVENIR, TRAITER OU INHIBER DES MALADIES, DES TROUBLES OU DES AFFECTIONS INFLAMMATOIRES CUTANÉS ET DES MALADIES, DES TROUBLES OU DES AFFECTIONS ASSOCIÉS À UN APPAUVRISSEMENT EN COLLAGÈNE
  申请人：WYETH CORP

  公开号：WO2009009417A2

  公开（公告）日：2009-01-15

  The present invention provides compositions and methods for preventing, treating, or inhibiting inflammatory diseases, disorders, or conditions of the skin, and diseases, disorders, or conditions associated with collagen depletion using one or more estrogenic agents.
• Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones
  作者：Robert E. McDevitt、Michael S. Malamas、Eric S. Manas、Rayomand J. Unwalla、Zhang B. Xu、Chris P. Miller、Heather A. Harris

  DOI：10.1016/j.bmcl.2005.04.013

  日期：2005.6

  The syntheses of a series of 2-arylindene-1-ones as potent ligands of ERbeta and ERalpha are described. Several compounds exhibited high potency and moderate selectivity for the ERbeta receptor. X-ray and modeling studies were used to understand ligand binding orientation and observed affinity.